3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol

C13H22N2O — CID 114529236

IUPAC3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol
SMILESCn1ccnc1CCC1(O)CCC(C)(C)C1
InChIInChI=1S/C13H22N2O/c1-12(2)6-7-13(16,10-12)5-4-11-14-8-9-15(11)3/h8-9,16H,4-7,10H2,1-3H3
InChIKeyPTDOIJXRUZAPIL-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.29
Rot. Bonds3

About 3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol

3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol (PubChem CID 114529236) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol
PubChem CID114529236
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol
SMILESCn1ccnc1CCC1(O)CCC(C)(C)C1
InChIInChI=1S/C13H22N2O/c1-12(2)6-7-13(16,10-12)5-4-11-14-8-9-15(11)3/h8-9,16H,4-7,10H2,1-3H3
InChIKeyPTDOIJXRUZAPIL-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid
CID 114529248
1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65210949
3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114529231
2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
CID 114532734
2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole
CID 106798396
1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529606
4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid
CID 114528845
2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole
CID 114532872
3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114533123
3-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 114532157
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol?
The IUPAC name of 3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol (CID 114529236) is 3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol is Cn1ccnc1CCC1(O)CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol?
The InChIKey is PTDOIJXRUZAPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12(2)6-7-13(16,10-12)5-4-11-14-8-9-15(11)3/h8-9,16H,4-7,10H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol?
3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 114529236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).